2-Hydroxylaminobenzoic acid
| Internal ID | b3e87d0e-a2a8-4086-8b3a-fea2f4d5ffd1 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acids |
| IUPAC Name | 2-(hydroxyamino)benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H7NO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4,8,11H,(H,9,10) |
| InChI Key | JKRIWPXSEMPTNP-UHFFFAOYSA-N |
| Popularity | 71 references in papers |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.14 g/mol |
| Exact Mass | 153.042593085 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.50 |
| Atomic LogP (AlogP) | 1.19 |
| H-Bond Acceptor | 3 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 2 |
| 2-(hydroxyamino)benzoic acid |
| 579-73-7 |
| Benzoic acid, 2-(hydroxyamino)- |
| N-Hydroxyanthranilic acid |
| N-hydroxy-anthranilic acid |
| Anthranilic acid, N-hydroxy- |
| SCHEMBL222251 |
| 1-(2-Nitrosophenyl)methanediol |
| CHEBI:25618 |
| N-(2-carboxyphenyl)hydroxylamine |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9042 | 90.42% |
| Caco-2 | + | 0.8932 | 89.32% |
| Blood Brain Barrier | - | 0.6000 | 60.00% |
| Human oral bioavailability | + | 0.8714 | 87.14% |
| Subcellular localzation | Mitochondria | 0.8008 | 80.08% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.9730 | 97.30% |
| OATP1B3 inhibitior | + | 0.9437 | 94.37% |
| MATE1 inhibitior | - | 0.9200 | 92.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.9570 | 95.70% |
| P-glycoprotein inhibitior | - | 0.9836 | 98.36% |
| P-glycoprotein substrate | - | 0.9763 | 97.63% |
| CYP3A4 substrate | - | 0.8651 | 86.51% |
| CYP2C9 substrate | - | 0.5933 | 59.33% |
| CYP2D6 substrate | - | 0.9045 | 90.45% |
| CYP3A4 inhibition | - | 0.9207 | 92.07% |
| CYP2C9 inhibition | - | 0.7378 | 73.78% |
| CYP2C19 inhibition | - | 0.8909 | 89.09% |
| CYP2D6 inhibition | - | 0.9173 | 91.73% |
| CYP1A2 inhibition | - | 0.5770 | 57.70% |
| CYP2C8 inhibition | - | 0.8106 | 81.06% |
| CYP inhibitory promiscuity | - | 0.9435 | 94.35% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.5061 | 50.61% |
| Carcinogenicity (trinary) | Non-required | 0.6579 | 65.79% |
| Eye corrosion | - | 0.9591 | 95.91% |
| Eye irritation | + | 0.9953 | 99.53% |
| Skin irritation | - | 0.5214 | 52.14% |
| Skin corrosion | - | 0.9504 | 95.04% |
| Ames mutagenesis | - | 0.6400 | 64.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.9393 | 93.93% |
| Micronuclear | + | 0.6600 | 66.00% |
| Hepatotoxicity | + | 0.7190 | 71.90% |
| skin sensitisation | - | 0.7758 | 77.58% |
| Respiratory toxicity | - | 0.6111 | 61.11% |
| Reproductive toxicity | - | 0.5000 | 50.00% |
| Mitochondrial toxicity | - | 0.5875 | 58.75% |
| Nephrotoxicity | + | 0.6936 | 69.36% |
| Acute Oral Toxicity (c) | III | 0.5565 | 55.65% |
| Estrogen receptor binding | - | 0.8818 | 88.18% |
| Androgen receptor binding | - | 0.7516 | 75.16% |
| Thyroid receptor binding | - | 0.6953 | 69.53% |
| Glucocorticoid receptor binding | - | 0.8265 | 82.65% |
| Aromatase binding | - | 0.7740 | 77.40% |
| PPAR gamma | + | 0.5267 | 52.67% |
| Honey bee toxicity | - | 0.9639 | 96.39% |
| Biodegradation | + | 0.7500 | 75.00% |
| Crustacea aquatic toxicity | - | 0.8500 | 85.00% |
| Fish aquatic toxicity | + | 0.9146 | 91.46% |
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 91.98% | 87.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.93% | 90.17% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 88.86% | 92.50% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.65% | 81.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.98% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.60% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.86% | 95.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.27% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 81.48% | 97.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.41% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.32% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.21% | 96.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 349497 |
| LOTUS | LTS0023452 |
| wikiData | Q27109888 |